Information card for entry 7036416

Structure parameters

• Formula: C63 H59 B F10 P2
• Calculated formula: C63 H59 B F10 P2
• Title of publication: Phosphole formation by 1,1-carboboration - reactions of bis-alkynyl phosphanes with a frustrated P/B Lewis pair.
• Authors of publication: Klose, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2023 - 2030
• a: 13.8113 ± 0.0005 Å
• b: 14.0951 ± 0.0005 Å
• c: 16.4458 ± 0.0009 Å
• α: 97.778 ± 0.002°
• β: 99.423 ± 0.002°
• γ: 118.03 ± 0.003°
• Cell volume: 2703.8 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No